N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

C16H15N3O2S2 — CID 75388898

IUPACN-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)s1
InChIInChI=1S/C16H15N3O2S2/c1-13-18-11-16(22-13)23(20,21)19(15-7-9-17-10-8-15)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyKFBHYPCIAVUPQL-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (PubChem CID 75388898) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
PubChem CID75388898
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)s1
InChIInChI=1S/C16H15N3O2S2/c1-13-18-11-16(22-13)23(20,21)19(15-7-9-17-10-8-15)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyKFBHYPCIAVUPQL-UHFFFAOYSA-N
XLogP3.24
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (CID 75388898) is N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)s1.
What is the InChIKey of N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is KFBHYPCIAVUPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-13-18-11-16(22-13)23(20,21)19(15-7-9-17-10-8-15)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 75388898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).